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((4S,6R)-4-Isopropyl-6-methyl-cyclohex-1-enylmethylsulfanyl)-acetic acid methyl ester
SpectraBase Compound ID 3zHlLqBKZ5v
InChI InChI=1S/C14H24O2S/c1-10(2)12-5-6-13(11(3)7-12)8-17-9-14(15)16-4/h6,10-12H,5,7-9H2,1-4H3/t11-,12+/m0/s1
InChIKey SUXXAZXEXDAQEK-NWDGAFQWSA-N
Mol Weight 256.4 g/mol
Molecular Formula C14H24O2S
Exact Mass 256.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRSIxWAuU36
Name ((4S,6R)-4-Isopropyl-6-methyl-cyclohex-1-enylmethylsulfanyl)-acetic acid methyl ester
Alternate Name(s) (4R,6S)-4-Isopropyl-6-methyl-cyclohex-1-enylmethylsulfanyl)-acetic acid methyl ester (4R,6S)-Methyl 4-(4-isopropyl-6-methylcyclohex-1-en-1-yl]-3-thiabutanoate Methyl ({[(4S,6R)-4-isopropyl-6-methyl-1-cyclohexen-1-yl]methyl}sulfanyl)acetate Methyl 4-(4-isopropyl-6-methylcyclohex-1-en-1-yl]-3-thiabutanoate 2-[[(4R,6S)-6-methyl-4-propan-2-yl-1-cyclohexenyl]methylthio]acetic acid methyl ester Methyl 2-[[(4R,6S)-6-methyl-4-propan-2-ylcyclohexen-1-yl]methylsulfanyl]acetate Methyl 2-[[(4R,6S)-4-isopropyl-6-methyl-cyclohexen-1-yl]methylsulfanyl]acetate Methyl 2-[[(4R,6S)-6-methyl-4-propan-2-yl-cyclohexen-1-yl]methylsulfanyl]ethanoate
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Formula C14H24O2S
InChI InChI=1S/C14H24O2S/c1-10(2)12-5-6-13(11(3)7-12)8-17-9-14(15)16-4/h6,10-12H,5,7-9H2,1-4H3/t11-,12+/m0/s1
InChIKey SUXXAZXEXDAQEK-NWDGAFQWSA-N
Molecular Weight 256.404 g/mol
SMILES C1(=CC[C@](C[C@@]1(C)[H])(C(C)C)[H])CSCC(=O)OC
SPLASH splash10-052f-9500000000-33722eb89be674295036
Source of Spectrum KC-0-2134-3
Wiley ID 830830